Cas no 96494-13-2 (Pyrimidine,2,4,6-triethoxy-5-methyl-)
96494-13-2 structure
Product Name:Pyrimidine,2,4,6-triethoxy-5-methyl-
CAS No:96494-13-2
MF:C11H18N2O3
MW:226.272222995758
CID:800354
PubChem ID:13470318
Update Time:2025-04-19
Pyrimidine,2,4,6-triethoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-triethoxy-5-methyl-
- Pyrimidine, 2,4,6-triethoxy-5-methyl- (9CI)
- 2,4,6-Triethoxy-5-methylpyrimidine
- 96494-13-2
-
- Inchi： 1S/C11H18N2O3/c1-5-14-9-8(4)10(15-6-2)13-11(12-9)16-7-3/h5-7H2,1-4H3
- InChI Key： GEVASFFVHZHGNB-UHFFFAOYSA-N
- SMILES： O(CC)C1C(C)=C(N=C(N=1)OCC)OCC
Computed Properties
- Exact Mass: 226.13174244g/mol
- Monoisotopic Mass: 226.13174244g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 53.5?2
Pyrimidine,2,4,6-triethoxy-5-methyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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